Computation of Octanol-Water Partition Coefficients using XLOGP3

• 作 者: BaogenDuan;TiejunCheng;RenxiaoWang;
• 机 构: State Key Laboratory of Bioorganic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Acade
• 出 处: 第七届全国化学生物学学术会议
• 发表日期: 2011年期

　　The XLOGP31 predicts the logP value of a query compound using known logP value of a reference compound as a starting point.The difference between the logP values of the query compound and the reference compound is then estimated by an additive model.Recently, Tetko et al.announce a new challenge to predict the logP values of 1,000 compounds based on the training set of 17,233 compounds with experimental logP values.